Structure Database (LMSD)
Common Name
Flavone
Systematic Name
Synonyms
3D model of Flavone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
SMILES (Click to copy)
C1=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
194.74
Topological Polar Surface Area
30.21
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.36
Molar Refractivity
68.03
Admin
Created at
-
Updated at
9th Jun 2022